4-Isopropylresorcinol
TL;DR: 4-Isopropylresorcinol (CAS 23504-03-2) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylbenzene-1,3-diol
Also Known As: 4-isopropylbenzene-1,3-diol, 4-Isopropylresorcinol, 4-propan-2-ylbenzene-1,3-diol, 1,3-Benzenediol, 4-(1-methylethyl)-, 4-isopropyl-1,3-benzenediol
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 23504-03-2 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)O)O |
| InChIKey | LNFVQIGQENWZQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylresorcinol (CAS 23504-03-2), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: 4-propan-2-ylbenzene-1,3-diol.
Chemical Property Profile of 4-Isopropylresorcinol
Property Insights of 4-Isopropylresorcinol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropylresorcinol. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Isopropylresorcinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylresorcinol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Isopropylresorcinol?
The CAS number of 4-Isopropylresorcinol is 23504-03-2.
What is the molecular formula of 4-Isopropylresorcinol?
The molecular formula of 4-Isopropylresorcinol is C9H12O2.
What is the molecular weight of 4-Isopropylresorcinol?
The molecular weight of 4-Isopropylresorcinol is 152.08 g/mol.
Where can I buy 4-Isopropylresorcinol?
You can request a quote for 4-Isopropylresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.